UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8438715
8438715
8438717
8438717

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.74 12.57 -15.64 0 8 0 92 493.585 9
Lo Low (pH 4.5-6) 4.74 13.02 -57.71 1 8 1 93 494.593 9

Analogs

8438715
8438715
8438717
8438717

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.74 12.36 -15 0 8 0 92 493.585 9
Lo Low (pH 4.5-6) 4.74 12.81 -56.46 1 8 1 93 494.593 9

Analogs

4455852
4455852

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 11.32 -11.72 0 6 0 74 405.479 5
Lo Low (pH 4.5-6) 4.35 11.62 -50.97 1 6 1 75 406.487 5

Analogs

4455852
4455852

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 11.42 -11.67 0 6 0 74 405.479 5
Lo Low (pH 4.5-6) 4.35 11.72 -50.7 1 6 1 75 406.487 5

Parameters Provided:

ring.id = 121929
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 121929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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